8018-2558 Screening compound: 4-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyridine

8018-2558 Screening compound: 4-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyridine
8018-2558 Screening compound: 4-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2558
4-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyridine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8018-2558

Molecular Formula

C16H13N5O2S (C16 H13 N5 O2 S)

Compound Name

4-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyridine

IUPAC name

4-[3-(34-dimethoxyphenyl)-[124]triazolo[34-b][134]thiadiazol-6-yl]pyridine

SMILES

COc(ccc(-c1nnc2sc(-c3ccncc3)nn12)c1)c1OC

InChI

InChI=1S/C16H13N5O2S/c1-22-12-4-3-11(9-13(12)23-2)14-18-19-16-21(14)20-15(24-16)10-5-7-17-8-6-10/h3-9H,1-2H3

InChI Key

JBMPRIPJQCLBHD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.083

Distribution Coefficient, logD

2.082

Water Solubility, LogSw

-2.27

Polar Surface Area

58.411

Acid Dissociation Constant (pKa)

32.86

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8018-2558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2558?
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What is the minimum amount of 8018-2558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2558
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8018-2558 available by request